Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013478

SCHEMBL2013478

SCHEMBL2013478

[CH]1CC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.42
▸ MAOA P21397 6/20 0.40
▸ MAOB P27338 6/20 0.40
▸ KDM1A O60341 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ CYP2B6 P20813 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL778067 0.89 SLC18A3 (0.44) SLC18A3SIGMAR1GAAMAPTTSHR
SCHEMBL11662560 0.85 NPC1 (0.50) SLC18A3SIGMAR1MAOBKDM1ACYP2C19
SCHEMBL8510366 0.82 SLC18A3 (0.48) SLC18A3SIGMAR1GAAMAPTTSHR
SCHEMBL385172 0.81 SLC18A3 (0.48) SLC18A3SIGMAR1GAAMAPTCYP2C19
SCHEMBL1267243 0.77 MAOB (0.52) MAPTTSHRMAOAMAOBKDM1A
SCHEMBL780217 0.76 SLC18A3 (0.43) SLC18A3SIGMAR1GAAMAPTCYP2C19
SCHEMBL11661537 0.75 SLC18A3 (0.52) SLC18A3SIGMAR1GAAMAPTTSHR
SCHEMBL2766491 0.75 SLC18A3 (0.52) SLC18A3SIGMAR1GAAMAPTTSHR
SCHEMBL190417 0.75 SLC18A3 (0.67) SLC18A3SIGMAR1GAAMAPTCYP2C19
SCHEMBL41763 0.75 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 — — WO claimed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 — — US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 — — EP claimed
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 — — CN claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 — — CN claimed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 — — WO claimed
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 — — WO claimed
CN-111057039-B 5-azido-5-fluoro-1, 3-dioxygen cyclic group-2-ketone derivative and preparation method thereof 山东师范大学 2021-04-02 — — CN claimed
CN-111057039-A 5-azido-5-fluoro-1, 3-dioxygen cyclic group-2-ketone derivative and preparation method thereof 山东师范大学 2020-04-24 — — CN claimed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 — — US claimed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 — — US claimed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 — — US claimed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US claimed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 — — WO claimed
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 — — WO disclosed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 — — EP disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 — — EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 — — US disclosed
US-4109015-A PROSTAGLANDINS, LUTEOLYTIC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP SLC18A3 4766/4885SIGMAR1 1273/4885GAA 374/4885
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A SLC18A3 231/4885SIGMAR1 170/4885GAA 3509/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 SLC18A3 1425/4885SIGMAR1 1079/4885GAA 4545/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC18A3 196/4885SIGMAR1 173/4885GAA 3285/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC18A3 206/4885SIGMAR1 116/4885GAA 2919/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.